#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwq n PRO -3 N 0.00 1.33 -0.86 1.61 -0.02 -1.26 -2.98 135.00 132.82 2kwq n PRO -3 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2kwq n PRO -3 Cb 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2kwq n PRO -3 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2kwq n MET -2 N -0.46 -0.33 0.00 -0.52 2.81 -1.26 -4.80 117.12 112.57 2kwq n MET -2 Ca 0.11 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2kwq n MET -2 Cb 0.43 -3.57 0.00 0.00 -0.71 0.00 0.00 33.22 29.37 2kwq n MET -2 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kwq n GLY -1 N -1.71 3.62 0.27 3.03 0.00 -1.16 -1.50 105.19 107.73 2kwq n GLY -1 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.16 2kwq n GLY -1 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2kwq h MET 755 N 0.00 0.00 0.00 1.61 2.86 -1.90 -3.42 114.93 114.08 2kwq h MET 755 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kwq h MET 755 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2kwq h MET 755 CO 0.00 0.06 0.00 0.94 1.06 0.00 0.00 176.91 178.97 2kwq n GLN 756 N -3.20 0.00 -3.71 1.72 7.27 -0.56 -4.82 117.38 114.08 2kwq n GLN 756 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 2kwq n GLN 756 Cb 0.32 -0.30 -0.08 0.00 2.41 0.00 0.00 30.24 32.59 2kwq n GLN 756 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2kwq s SER 757 N 0.00 -0.31 0.32 1.69 1.04 -1.26 -5.10 113.70 110.07 2kwq s SER 757 Ca 0.00 0.31 0.07 0.00 0.48 0.00 0.00 55.95 56.80 2kwq s SER 757 Cb 0.00 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 2kwq s SER 757 CO 0.00 -0.43 -0.03 -0.63 0.98 0.00 0.00 173.24 173.13 2kwq s ILE 758 N -1.07 1.69 0.00 -1.02 -1.09 -1.26 -5.04 121.20 113.41 2kwq s ILE 758 Ca -0.11 -2.09 0.00 0.00 -2.23 0.00 0.00 60.65 56.22 2kwq s ILE 758 Cb -0.04 -2.63 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 2kwq s ILE 758 CO 0.05 -0.18 1.14 -2.11 -1.23 0.00 0.00 174.94 172.61 2kwq n ARG 759 N -0.69 0.60 -3.61 2.79 1.85 -1.26 -4.67 116.66 111.68 2kwq n ARG 759 Ca -0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.76 2kwq n ARG 759 Cb 0.65 -1.20 -0.03 0.00 -1.05 0.00 0.00 32.46 30.82 2kwq n ARG 759 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2kwq s GLU 760 N 0.75 0.27 -0.12 2.89 -1.05 -1.26 -4.44 118.70 115.74 2kwq s GLU 760 Ca 0.00 -0.02 -0.11 0.00 -0.15 0.00 0.00 54.97 54.70 2kwq s GLU 760 Cb 0.00 0.13 0.03 0.00 -0.44 0.00 0.00 34.13 33.85 2kwq s GLU 760 CO 0.00 -0.10 0.31 1.14 0.95 0.00 0.00 175.26 177.56 2kwq s GLN 761 N -1.66 0.36 0.32 -4.83 -2.07 -1.23 -4.98 119.66 105.57 2kwq s GLN 761 Ca 0.07 0.44 -0.28 0.00 -1.82 0.00 0.00 55.36 53.77 2kwq s GLN 761 Cb -0.01 0.16 -0.09 0.00 -1.09 0.00 0.00 33.01 31.98 2kwq s GLN 761 CO -0.05 -0.05 1.13 -1.12 -1.32 0.00 0.00 175.29 173.89 2kwq s SER 762 N 0.23 7.02 0.23 12.60 0.01 -1.26 -2.49 113.70 130.03 2kwq s SER 762 Ca -0.01 2.32 -0.06 0.00 1.31 0.00 0.00 55.95 59.51 2kwq s SER 762 Cb -0.03 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 2kwq s SER 762 CO -0.00 -0.32 0.29 0.00 0.41 0.00 0.00 173.24 173.62 2kwq s ARG 764 N -4.04 4.17 0.16 0.00 3.52 -1.26 -1.18 118.95 120.33 2kwq s ARG 764 Ca 0.32 0.73 -0.01 0.00 -0.13 0.00 0.00 55.73 56.64 2kwq s ARG 764 Cb 0.03 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 2kwq s ARG 764 CO 0.12 0.52 0.09 0.14 -0.81 0.00 0.00 175.30 175.35 2kwq s VAL 765 N -1.34 0.07 0.00 7.11 -7.23 0.99 -4.74 120.40 115.26 2kwq s VAL 765 Ca 0.36 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2kwq s VAL 765 Cb -0.18 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 2kwq s VAL 765 CO 0.20 -0.24 -0.04 0.54 -0.31 0.00 0.00 175.10 175.24 2kwq s VAL 766 N -4.09 0.33 -0.26 1.32 0.11 0.73 -1.28 120.40 117.27 2kwq s VAL 766 Ca 0.31 -0.33 -0.05 0.00 -2.93 0.00 0.00 61.98 58.98 2kwq s VAL 766 Cb 0.07 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 2kwq s VAL 766 CO 0.07 -0.01 0.01 -0.89 -3.33 0.00 0.00 175.10 170.95 2kwq s THR 767 N -0.34 3.59 -0.10 5.04 2.01 -0.23 -1.43 115.64 124.18 2kwq s THR 767 Ca -0.01 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 2kwq s THR 767 Cb -0.03 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 2kwq s THR 767 CO -0.00 0.24 1.41 0.00 -0.69 0.00 0.00 174.62 175.58 2kwq h LYS 769 N 8.59 0.00 0.03 0.00 1.79 -1.18 -0.47 116.57 125.32 2kwq h LYS 769 Ca -0.32 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 57.97 2kwq h LYS 769 Cb 1.14 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.81 2kwq h LYS 769 CO 0.95 0.06 -0.72 1.15 -1.08 0.00 0.00 179.45 179.82 2kwq h THR 770 N 0.00 1.41 0.00 -0.16 2.02 -1.92 -3.37 112.91 110.90 2kwq h THR 770 Ca -0.00 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.00 2kwq h THR 770 Cb 1.05 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 2kwq h THR 770 CO 0.01 0.64 -1.70 0.00 0.37 0.00 0.00 175.52 174.83 2kwq n LYS 772 N -2.04 -0.40 -3.52 0.00 4.01 -0.19 -5.05 118.16 110.96 2kwq n LYS 772 Ca -0.02 0.63 -0.25 0.00 -0.51 0.00 0.00 58.31 58.16 2kwq n LYS 772 Cb 0.49 -4.33 -0.02 0.00 -0.51 0.00 0.00 35.03 30.65 2kwq n LYS 772 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 2kwq s TYR 773 N -2.15 3.49 -0.08 2.13 -0.85 -1.22 -4.94 117.35 113.73 2kwq s TYR 773 Ca 0.00 0.35 0.04 0.00 -0.52 0.00 0.00 57.07 56.94 2kwq s TYR 773 Cb 0.00 -1.88 -0.01 0.00 0.38 0.00 0.00 41.96 40.45 2kwq s TYR 773 CO 0.00 0.24 -0.20 0.99 -1.52 0.00 0.00 175.55 175.06 2kwq s THR 774 N -2.12 2.50 0.33 -3.49 2.01 -1.26 -1.76 115.64 111.86 2kwq s THR 774 Ca 0.39 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 61.35 2kwq s THR 774 Cb -0.10 -1.97 0.03 0.00 0.01 0.00 0.00 72.50 70.48 2kwq s THR 774 CO 0.32 0.56 0.70 -1.00 -0.69 0.00 0.00 174.62 174.51 2kwq s HIS 775 N -0.11 0.18 0.15 4.92 3.76 -0.51 -4.87 115.29 118.80 2kwq s HIS 775 Ca -0.04 -0.70 -0.08 0.00 -0.15 0.00 0.00 55.06 54.09 2kwq s HIS 775 Cb -0.14 0.61 -0.02 0.00 1.11 0.00 0.00 32.58 34.14 2kwq s HIS 775 CO 0.04 -1.36 1.43 0.74 -0.85 0.00 0.00 174.74 174.75 2kwq h PHE 776 N 2.04 0.96 -3.87 1.40 0.04 -1.85 0.21 116.94 115.87 2kwq h PHE 776 Ca -0.27 -0.35 -0.39 0.00 2.80 0.00 0.00 57.97 59.77 2kwq h PHE 776 Cb 1.25 -0.18 -0.21 0.00 2.20 0.00 0.00 35.95 39.02 2kwq h PHE 776 CO 1.01 1.15 -0.77 0.15 -0.60 0.00 0.00 178.31 179.25 2kwq s LYS 777 N -4.05 0.82 0.45 1.51 -0.14 -1.26 -4.13 119.74 112.93 2kwq s LYS 777 Ca -0.09 -1.00 -0.21 0.00 -1.36 0.00 0.00 55.97 53.31 2kwq s LYS 777 Cb 0.10 -0.74 -0.10 0.00 -1.68 0.00 0.00 37.83 35.42 2kwq s LYS 777 CO 0.87 0.15 0.99 -1.25 -0.76 0.00 0.00 175.35 175.36 2kwq s PRO 778 N -1.99 4.07 0.78 -1.68 0.04 -1.26 -4.94 135.00 130.01 2kwq s PRO 778 Ca -0.00 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 2kwq s PRO 778 Cb -0.08 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.32 2kwq s PRO 778 CO 0.02 -0.19 1.11 0.15 0.04 0.00 0.00 177.00 178.13 2kwq s LYS 779 N -3.10 2.10 0.34 4.56 1.02 -1.26 -4.83 119.74 118.56 2kwq s LYS 779 Ca 0.63 1.30 0.01 0.00 0.02 0.00 0.00 55.97 57.94 2kwq s LYS 779 Cb -0.13 -1.87 0.59 0.00 -0.52 0.00 0.00 37.83 35.89 2kwq s LYS 779 CO 0.17 -1.78 1.98 1.05 -0.92 0.00 0.00 175.35 175.86 2kwq h GLU 780 N -1.05 0.85 -0.47 1.68 9.09 -1.99 -0.23 114.58 122.47 2kwq h GLU 780 Ca -0.44 -0.07 -0.06 0.00 0.05 0.00 0.00 59.36 58.84 2kwq h GLU 780 Cb 1.24 -0.18 -0.02 0.00 -1.65 0.00 0.00 28.75 28.14 2kwq h GLU 780 CO 0.50 0.59 0.07 1.79 0.05 0.00 0.00 179.01 182.01 2kwq h THR 781 N 0.87 1.25 -0.49 -1.06 1.35 -1.98 -0.88 112.91 111.97 2kwq h THR 781 Ca 0.23 -0.93 -0.13 0.00 -0.55 0.00 0.00 66.41 65.03 2kwq h THR 781 Cb -0.04 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 2kwq h THR 781 CO -0.04 0.33 -0.19 0.00 -0.25 0.00 0.00 175.52 175.37 2kwq h VAL 783 N 0.86 1.28 -0.21 0.00 2.07 -1.08 -0.87 116.25 118.31 2kwq h VAL 783 Ca 0.12 -1.56 -0.12 0.00 0.82 0.00 0.00 66.70 65.95 2kwq h VAL 783 Cb 0.76 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2kwq h VAL 783 CO 0.06 0.51 -0.35 -1.28 0.02 0.00 0.00 177.57 176.54 2kwq h SER 784 N 0.62 0.67 0.71 0.57 0.87 -1.02 -3.03 113.55 112.94 2kwq h SER 784 Ca 0.04 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2kwq h SER 784 Cb 0.98 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2kwq h SER 784 CO 0.09 1.07 0.00 -0.62 -0.53 0.00 0.00 176.83 176.84 2kwq n GLU 785 N -4.28 0.20 -3.46 2.24 -0.58 0.06 -4.95 120.64 109.86 2kwq n GLU 785 Ca -0.05 0.04 -0.18 0.00 -0.42 0.00 0.00 57.16 56.55 2kwq n GLU 785 Cb 0.50 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.95 2kwq n GLU 785 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2kwq n ASN 786 N -1.39 -2.74 -4.70 1.62 3.02 -0.77 -5.01 115.26 105.29 2kwq n ASN 786 Ca 0.10 -0.69 -0.34 0.00 -0.03 0.00 0.00 54.58 53.62 2kwq n ASN 786 Cb 0.26 -4.88 0.12 0.00 -0.61 0.00 0.00 39.78 34.67 2kwq n ASN 786 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2kwq s HIS 787 N -3.43 1.83 0.05 3.10 3.76 -0.40 -5.02 115.29 115.17 2kwq s HIS 787 Ca 0.09 1.66 -0.26 0.00 -0.15 0.00 0.00 55.06 56.39 2kwq s HIS 787 Cb -0.02 -3.50 -0.05 0.00 1.11 0.00 0.00 32.58 30.12 2kwq s HIS 787 CO 0.75 -2.86 0.82 -0.51 -0.85 0.00 0.00 174.74 172.10 2kwq s ASP 788 N -2.10 7.28 0.02 1.40 1.01 -1.26 -4.94 116.67 118.09 2kwq s ASP 788 Ca 0.74 1.53 0.01 0.00 0.71 0.00 0.00 52.55 55.54 2kwq s ASP 788 Cb -0.29 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.12 2kwq s ASP 788 CO 0.50 -0.03 -0.05 0.72 0.21 0.00 0.00 175.17 176.52 2kwq s PHE 789 N 0.09 0.39 -0.15 4.23 -0.12 -1.26 -0.62 117.98 120.54 2kwq s PHE 789 Ca 0.41 -0.45 -0.03 0.00 -0.05 0.00 0.00 56.93 56.82 2kwq s PHE 789 Cb -0.21 -0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 41.90 2kwq s PHE 789 CO 0.25 -0.13 -0.06 -1.01 -0.05 0.00 0.00 175.22 174.22 2kwq s HIS 790 N -1.24 2.96 0.18 3.49 3.76 -0.38 -4.94 115.29 119.13 2kwq s HIS 790 Ca -0.12 -0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 54.31 2kwq s HIS 790 Cb -0.09 -1.94 -0.05 0.00 1.11 0.00 0.00 32.58 31.61 2kwq s HIS 790 CO -0.00 -0.13 0.42 -1.58 -0.85 0.00 0.00 174.74 172.59 2kwq s TRP 791 N 0.46 3.47 0.24 1.40 0.52 -1.26 -1.07 118.94 122.70 2kwq s TRP 791 Ca -0.05 0.53 -0.20 0.00 0.02 0.00 0.00 56.10 56.40 2kwq s TRP 791 Cb -0.15 -1.99 0.07 0.00 -1.15 0.00 0.00 33.47 30.25 2kwq s TRP 791 CO 0.03 0.37 0.99 -3.38 0.02 0.00 0.00 176.95 174.98 2kwq s HIS 792 N -1.79 0.11 0.24 -1.98 -3.43 -0.40 -4.99 115.29 103.04 2kwq s HIS 792 Ca 0.41 -0.59 -0.01 0.00 -0.80 0.00 0.00 55.06 54.08 2kwq s HIS 792 Cb -0.12 0.74 -0.04 0.00 -1.43 0.00 0.00 32.58 31.74 2kwq s HIS 792 CO 0.26 -1.09 0.44 -0.80 -2.00 0.00 0.00 174.74 171.55 2kwq s ASN 793 N -3.39 6.38 0.00 7.38 -0.87 -1.26 -0.01 114.94 123.17 2kwq s ASN 793 Ca 0.22 0.43 0.00 0.00 -1.57 0.00 0.00 52.86 51.94 2kwq s ASN 793 Cb -0.03 -2.02 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 2kwq s ASN 793 CO 0.07 -0.11 0.00 0.61 -2.57 0.00 0.00 177.10 175.10 2kwq n GLY 794 N -0.93 2.37 3.23 0.66 0.00 -0.32 -4.82 105.19 105.38 2kwq n GLY 794 Ca -0.05 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 2kwq n GLY 794 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kwq s VAL 795 N -2.95 -0.02 -0.10 1.61 0.11 -1.26 -1.32 120.40 116.47 2kwq s VAL 795 Ca 0.00 0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 59.05 2kwq s VAL 795 Cb 0.00 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2kwq s VAL 795 CO 0.00 0.03 0.15 -1.59 -3.33 0.00 0.00 175.10 170.35 2kwq s LYS 796 N 0.93 3.44 0.05 1.54 -2.85 -1.04 -4.50 119.74 117.31 2kwq s LYS 796 Ca -0.06 -0.16 0.07 0.00 -1.00 0.00 0.00 55.97 54.82 2kwq s LYS 796 Cb -0.07 -3.17 -0.03 0.00 -2.06 0.00 0.00 37.83 32.50 2kwq s LYS 796 CO -0.07 0.76 -0.15 1.03 0.10 0.00 0.00 175.35 177.02 2kwq s ARG 797 N -1.18 2.13 -0.14 1.78 1.81 0.68 -3.54 118.95 120.50 2kwq s ARG 797 Ca 0.17 -0.96 -0.02 0.00 -1.72 0.00 0.00 55.73 53.20 2kwq s ARG 797 Cb -0.12 -2.25 -0.02 0.00 -0.45 0.00 0.00 34.95 32.10 2kwq s ARG 797 CO 0.06 0.54 -0.08 -0.06 -0.68 0.00 0.00 175.30 175.09 2kwq s PHE 798 N -1.01 2.93 0.07 -0.53 0.08 -1.26 -2.43 117.98 115.83 2kwq s PHE 798 Ca 0.16 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.85 2kwq s PHE 798 Cb -0.11 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 2kwq s PHE 798 CO 0.08 -0.08 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.90 2kwq s PHE 799 N 0.27 1.29 0.04 0.36 0.08 -0.43 -0.81 117.98 118.77 2kwq s PHE 799 Ca -0.06 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 56.60 2kwq s PHE 799 Cb -0.15 -0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.55 2kwq s PHE 799 CO 0.04 0.07 -0.12 0.21 -0.10 0.00 0.00 175.22 175.32 2kwq s LYS 800 N -1.64 0.81 0.09 0.44 2.20 -0.34 -1.49 119.74 119.82 2kwq s LYS 800 Ca -0.00 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 54.87 2kwq s LYS 800 Cb -0.10 -0.78 -0.05 0.00 -1.51 0.00 0.00 37.83 35.40 2kwq s LYS 800 CO 0.02 0.19 0.27 0.00 -0.36 0.00 0.00 175.35 175.47 2kwq h PRO 802 N 3.00 0.00 0.00 0.00 0.13 -1.88 -1.62 132.00 131.63 2kwq h PRO 802 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kwq h PRO 802 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kwq h PRO 802 CO 0.75 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.52 2kwq n GLY 804 N 0.88 0.95 3.77 0.00 0.00 -0.61 -5.11 105.19 105.06 2kwq n GLY 804 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2kwq n GLY 804 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kwq s ASN 805 N -1.95 5.85 0.08 1.61 2.47 -1.26 -4.82 114.94 116.92 2kwq s ASN 805 Ca 0.00 2.28 0.02 0.00 0.42 0.00 0.00 52.86 55.58 2kwq s ASN 805 Cb 0.00 -2.59 -0.04 0.00 -1.45 0.00 0.00 41.25 37.17 2kwq s ASN 805 CO 0.00 -1.13 -0.07 -0.13 -3.72 0.00 0.00 177.10 172.04 2kwq s ARG 806 N -3.01 0.76 0.27 0.43 0.52 -1.26 -0.68 118.95 115.98 2kwq s ARG 806 Ca 0.69 -1.17 -0.16 0.00 -0.52 0.00 0.00 55.73 54.57 2kwq s ARG 806 Cb -0.27 -0.26 0.01 0.00 0.52 0.00 0.00 34.95 34.95 2kwq s ARG 806 CO 0.32 0.01 0.58 -0.08 0.02 0.00 0.00 175.30 176.15 2kwq s THR 807 N -2.95 0.00 0.00 0.02 -1.32 -0.55 -5.00 115.64 105.84 2kwq s THR 807 Ca 0.06 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 2kwq s THR 807 Cb 0.01 -2.17 -0.00 0.00 -1.51 0.00 0.00 72.50 68.82 2kwq s THR 807 CO -0.03 0.00 -0.00 -0.63 -2.21 0.00 0.00 174.62 171.75 2kwq s ILE 808 N -3.88 0.03 0.35 5.08 1.01 -1.26 -1.32 121.20 121.22 2kwq s ILE 808 Ca 0.18 -0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.66 2kwq s ILE 808 Cb -0.03 -0.04 0.03 0.00 0.01 0.00 0.00 42.46 42.44 2kwq s ILE 808 CO 0.09 -0.01 0.69 -0.55 0.00 0.00 0.00 174.94 175.16 2kwq s SER 809 N -0.05 0.15 -0.08 3.58 0.15 -1.02 -5.00 113.70 111.44 2kwq s SER 809 Ca -0.00 -1.12 0.20 0.00 0.70 0.00 0.00 55.95 55.72 2kwq s SER 809 Cb -0.00 0.77 -0.26 0.00 -1.71 0.00 0.00 66.02 64.82 2kwq s SER 809 CO -0.00 -1.52 0.37 0.18 1.20 0.00 0.00 173.24 173.48 2kwq n LEU 810 N -0.52 0.15 -4.95 3.45 7.99 -1.26 -0.23 117.00 121.64 2kwq n LEU 810 Ca -0.05 0.07 -0.23 0.00 -0.01 0.00 0.00 56.01 55.78 2kwq n LEU 810 Cb 0.60 0.22 0.03 0.00 -0.11 0.00 0.00 43.42 44.16 2kwq n LEU 810 CO 0.25 0.23 0.38 -0.62 -1.51 0.00 0.00 177.39 176.12 2kwq s ASP 811 N -5.14 5.54 0.00 -1.43 2.15 -1.26 -4.72 116.67 111.81 2kwq s ASP 811 Ca -0.08 0.28 0.13 0.00 0.43 0.00 0.00 52.55 53.32 2kwq s ASP 811 Cb 0.10 -1.33 0.78 0.00 -0.30 0.00 0.00 42.92 42.16 2kwq s ASP 811 CO 0.86 -0.97 1.20 -2.11 -0.17 0.00 0.00 175.17 173.98 2kwq n ARG 812 N -2.31 0.45 -3.65 4.34 -4.01 -1.26 -4.53 116.66 105.69 2kwq n ARG 812 Ca 0.04 0.00 -0.12 0.00 -1.04 0.00 0.00 57.85 56.73 2kwq n ARG 812 Cb 0.58 -1.45 -0.08 0.00 -3.04 0.00 0.00 32.46 28.48 2kwq n ARG 812 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 2kwq s LEU 813 N -1.90 -0.59 0.80 2.89 2.96 -1.26 -4.95 118.68 116.63 2kwq s LEU 813 Ca 0.20 1.35 -0.11 0.00 -0.22 0.00 0.00 54.13 55.34 2kwq s LEU 813 Cb 0.09 2.25 0.07 0.00 0.50 0.00 0.00 46.19 49.10 2kwq s LEU 813 CO 0.15 -0.23 1.09 -2.16 -1.32 0.00 0.00 176.35 173.88 2kwq s PRO 814 N 0.62 2.07 0.04 0.98 0.04 -1.26 -4.97 135.00 132.52 2kwq s PRO 814 Ca -0.02 0.96 0.24 0.00 0.04 0.00 0.00 61.00 62.21 2kwq s PRO 814 Cb -0.05 -1.89 0.29 0.00 0.04 0.00 0.00 34.50 32.89 2kwq s PRO 814 CO -0.03 -1.71 1.25 0.36 0.04 0.00 0.00 177.00 176.91 2kwq n LYS 815 N -3.54 0.13 -4.16 4.56 -0.00 -1.26 -4.98 118.16 108.92 2kwq n LYS 815 Ca 0.08 0.02 -0.28 0.00 -0.00 0.00 0.00 58.31 58.12 2kwq n LYS 815 Cb 0.54 -1.56 -0.08 0.00 -0.00 0.00 0.00 35.03 33.94 2kwq n LYS 815 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2kwq s LYS 816 N -3.08 2.51 0.74 -1.58 0.00 -1.26 -5.14 119.74 111.93 2kwq s LYS 816 Ca 0.08 -0.95 -0.11 0.00 0.00 0.00 0.00 55.97 54.99 2kwq s LYS 816 Cb 0.16 -2.47 0.03 0.00 0.00 0.00 0.00 37.83 35.55 2kwq s LYS 816 CO 0.74 0.50 1.09 -1.01 0.00 0.00 0.00 175.35 176.67 2kwq s HIS 817 N -1.51 3.10 0.30 1.78 3.76 -1.26 -4.96 115.29 116.51 2kwq s HIS 817 Ca 0.27 1.17 -0.30 0.00 -0.15 0.00 0.00 55.06 56.05 2kwq s HIS 817 Cb -0.11 -3.04 -0.11 0.00 1.11 0.00 0.00 32.58 30.44 2kwq s HIS 817 CO 0.19 -1.41 1.57 0.00 -0.85 0.00 0.00 174.74 174.23 2kwq h SER 819 N 4.55 0.00 0.00 0.00 0.02 -1.95 -2.84 113.55 113.33 2kwq h SER 819 Ca -0.48 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.16 2kwq h SER 819 Cb 1.22 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.71 2kwq h SER 819 CO 0.77 0.00 -2.17 0.41 -1.14 0.00 0.00 176.83 174.70 2kwq n THR 820 N -2.68 1.17 0.00 -2.27 -1.04 -1.26 -4.79 114.28 103.41 2kwq n THR 820 Ca 0.04 -0.62 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 2kwq n THR 820 Cb 0.42 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 2kwq n THR 820 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kwq n GLY 822 N 0.60 0.87 1.34 0.00 0.00 -1.07 -5.02 105.19 101.91 2kwq n GLY 822 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2kwq n GLY 822 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kwq n LEU 823 N 0.00 0.00 -3.61 0.99 -0.00 -1.26 -4.50 117.00 108.62 2kwq n LEU 823 Ca 0.00 -0.66 -0.28 0.00 -0.00 0.00 0.00 56.01 55.06 2kwq n LEU 823 Cb 0.00 -0.26 -0.12 0.00 -0.00 0.00 0.00 43.42 43.04 2kwq n LEU 823 CO 0.00 -0.72 -0.24 0.12 -0.00 0.00 0.00 177.39 176.55 2kwq s PHE 824 N -1.24 1.78 -0.13 1.47 5.36 -1.26 -1.09 117.98 122.86 2kwq s PHE 824 Ca 0.24 -2.42 0.21 0.00 -0.96 0.00 0.00 56.93 54.00 2kwq s PHE 824 Cb -0.01 -1.58 0.45 0.00 -0.34 0.00 0.00 43.02 41.55 2kwq s PHE 824 CO 0.16 -0.76 1.16 1.63 -1.46 0.00 0.00 175.22 175.95 2kwq n LYS 825 N 3.15 1.09 -1.76 10.12 4.76 -1.26 -5.10 118.16 129.16 2kwq n LYS 825 Ca 0.17 -2.84 -0.41 0.00 -2.87 0.00 0.00 58.31 52.36 2kwq n LYS 825 Cb 0.39 -0.93 -0.01 0.00 -1.84 0.00 0.00 35.03 32.64 2kwq n LYS 825 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 2kwq n TRP 826 N -0.18 2.86 -4.72 2.13 7.02 -1.26 -4.49 117.44 118.80 2kwq n TRP 826 Ca 0.12 0.41 -0.24 0.00 -1.02 0.00 0.00 57.50 56.77 2kwq n TRP 826 Cb 0.96 -2.53 -0.16 0.00 -2.42 0.00 0.00 31.31 27.16 2kwq n TRP 826 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2kwq s GLU 827 N -1.66 1.46 0.00 -0.99 2.56 -0.11 -4.95 118.70 115.00 2kwq s GLU 827 Ca 0.56 -0.53 -0.30 0.00 0.00 0.00 0.00 54.97 54.70 2kwq s GLU 827 Cb -0.50 -1.32 -0.07 0.00 2.00 0.00 0.00 34.13 34.25 2kwq s GLU 827 CO 0.60 0.25 1.69 0.50 -0.56 0.00 0.00 175.26 177.73 2kwq s ARG 828 N -0.06 4.19 0.43 4.30 6.06 -1.26 -1.20 118.95 131.40 2kwq s ARG 828 Ca -0.00 2.28 0.06 0.00 -2.50 0.00 0.00 55.73 55.57 2kwq s ARG 828 Cb -0.09 -3.87 -0.05 0.00 0.06 0.00 0.00 34.95 31.00 2kwq s ARG 828 CO 0.01 -0.81 0.10 0.14 -2.50 0.00 0.00 175.30 172.24 2kwq s VAL 829 N 3.58 2.01 0.53 7.11 -7.23 0.01 -4.93 120.40 121.48 2kwq s VAL 829 Ca 0.75 -1.84 -0.09 0.00 -1.81 0.00 0.00 61.98 58.99 2kwq s VAL 829 Cb -0.37 -2.86 0.13 0.00 0.56 0.00 0.00 36.38 33.84 2kwq s VAL 829 CO 0.32 0.00 0.64 0.61 -0.31 0.00 0.00 175.10 176.36 2kwq n GLY 830 N -1.16 -1.68 3.72 2.32 0.00 -1.26 -4.41 105.19 102.72 2kwq n GLY 830 Ca -0.05 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 2kwq n GLY 830 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2kwq n MET 831 N -2.65 2.09 -2.26 1.61 1.56 -1.26 -4.83 117.12 111.38 2kwq n MET 831 Ca 0.08 0.74 -0.43 0.00 -0.27 0.00 0.00 57.70 57.83 2kwq n MET 831 Cb 0.30 -2.46 -0.02 0.00 2.15 0.00 0.00 33.22 33.18 2kwq n MET 831 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2kwq s LEU 832 N -1.88 4.24 0.00 -0.89 1.02 -1.26 -4.92 118.68 114.99 2kwq s LEU 832 Ca 0.60 1.91 0.21 0.00 0.02 0.00 0.00 54.13 56.87 2kwq s LEU 832 Cb -0.50 -3.54 0.53 0.00 0.02 0.00 0.00 46.19 42.70 2kwq s LEU 832 CO 0.59 -0.81 1.45 2.29 0.02 0.00 0.00 176.35 179.88 2kwq n LYS 833 N 6.68 2.27 -2.12 1.70 -0.00 -1.26 -5.00 118.16 120.43 2kwq n LYS 833 Ca 0.15 -1.94 -0.41 0.00 -0.00 0.00 0.00 58.31 56.12 2kwq n LYS 833 Cb 0.44 -1.47 -0.02 0.00 -0.00 0.00 0.00 35.03 33.98 2kwq n LYS 833 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2kwq s GLU 834 N -1.49 4.36 0.84 -1.58 2.02 -1.26 -5.02 118.70 116.57 2kwq s GLU 834 Ca 0.37 2.21 -0.12 0.00 0.02 0.00 0.00 54.97 57.45 2kwq s GLU 834 Cb 0.21 -3.08 0.09 0.00 0.10 0.00 0.00 34.13 31.45 2kwq s GLU 834 CO 0.29 -0.19 1.10 0.15 0.02 0.00 0.00 175.26 176.64 2kwq s LYS 835 N -1.73 1.76 0.00 1.61 1.02 -1.26 -4.99 119.74 116.14 2kwq s LYS 835 Ca 0.49 0.59 0.00 0.00 0.02 0.00 0.00 55.97 57.07 2kwq s LYS 835 Cb -0.40 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 2kwq s LYS 835 CO 0.52 -1.83 0.00 2.41 -0.92 0.00 0.00 175.35 175.53 2kwq n THR 836 N -3.57 -0.53 -3.84 2.17 -1.04 -1.26 -5.17 114.28 101.04 2kwq n THR 836 Ca 0.07 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.10 2kwq n THR 836 Cb 0.57 -0.13 0.01 0.00 -1.82 0.00 0.00 70.33 68.95 2kwq n THR 836 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2kwq s GLY 837 N -0.93 -0.23 0.32 3.41 0.00 -1.26 -5.16 107.32 103.46 2kwq s GLY 837 Ca 0.00 0.28 -0.28 0.00 0.00 0.00 0.00 44.72 44.71 2kwq s GLY 837 CO 0.00 3.31 1.17 2.56 0.00 0.00 0.00 173.10 180.14 2kwq s PRO 838 N -2.18 4.46 0.02 2.90 0.04 -1.26 -4.97 135.00 134.02 2kwq s PRO 838 Ca 0.23 1.93 0.25 0.00 0.04 0.00 0.00 61.00 63.46 2kwq s PRO 838 Cb 0.02 -3.07 0.59 0.00 0.04 0.00 0.00 34.50 32.08 2kwq s PRO 838 CO -0.02 0.01 1.48 1.63 0.04 0.00 0.00 177.00 180.14 2kwq n LYS 839 N 0.88 0.05 -4.42 4.56 4.76 -1.26 -4.95 118.16 117.79 2kwq n LYS 839 Ca 0.00 0.02 -0.21 0.00 -2.87 0.00 0.00 58.31 55.25 2kwq n LYS 839 Cb 0.44 -1.53 -0.10 0.00 -1.84 0.00 0.00 35.03 31.99 2kwq n LYS 839 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kwq s LEU 840 N -3.22 2.42 0.00 -0.35 1.43 -1.26 -5.18 118.68 112.52 2kwq s LEU 840 Ca 0.11 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 2kwq s LEU 840 Cb 0.17 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.82 2kwq s LEU 840 CO 0.68 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2kwq n GLY 841 N -0.58 0.60 0.00 -3.19 0.00 -1.26 -5.24 105.19 95.52 2kwq n GLY 841 Ca -0.05 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2kwq n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93